1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine

C12H24N2O3S — CID 55014168

IUPAC1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
SMILESCOCCS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C12H24N2O3S/c1-17-8-9-18(15,16)14-7-3-4-11(10-14)12-5-2-6-13-12/h11-13H,2-10H2,1H3
InChIKeyPBNFUAKWXDVGPP-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.43
Rot. Bonds5

About 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine

1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine (PubChem CID 55014168) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
PubChem CID55014168
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Name1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine
SMILESCOCCS(=O)(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C12H24N2O3S/c1-17-8-9-18(15,16)14-7-3-4-11(10-14)12-5-2-6-13-12/h11-13H,2-10H2,1H3
InChIKeyPBNFUAKWXDVGPP-UHFFFAOYSA-N
XLogP0.43
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine (CID 55014168) is 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine is COCCS(=O)(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
The InChIKey is PBNFUAKWXDVGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-17-8-9-18(15,16)14-7-3-4-11(10-14)12-5-2-6-13-12/h11-13H,2-10H2,1H3.
What are the key properties of 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine?
1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine has a molecular weight of 276.40 g/mol, XLogP of 0.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 55014168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).